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Статті в журналах з теми "Electronic Structure - Functional Materials"
Gu, Lin. "Structure and electronic structure of functional materials under symmetric breaking." Microscopy and Microanalysis 25, S2 (August 2019): 2062–63. http://dx.doi.org/10.1017/s1431927619011048.
Повний текст джерелаBilal, M., S. Jalali-Asadabadi, Rashid Ahmad, and Iftikhar Ahmad. "Electronic Properties of Antiperovskite Materials from State-of-the-Art Density Functional Theory." Journal of Chemistry 2015 (2015): 1–11. http://dx.doi.org/10.1155/2015/495131.
Повний текст джерелаMOLENDA, JANINA, and JACEK MARZEC. "FUNCTIONAL CATHODE MATERIALS FOR Li-ION BATTERIES — PART III: POTENTIAL CATHODE MATERIALS LixNi1-y-zCoyMnzO2 AND LiMn2O4." Functional Materials Letters 02, no. 01 (March 2009): 1–7. http://dx.doi.org/10.1142/s1793604709000545.
Повний текст джерелаChkhartishvili, Levan. "On Semi-Classical Approach to Materials Electronic Structure." Journal of Material Science and Technology Research 8 (November 30, 2021): 41–49. http://dx.doi.org/10.31875/2410-4701.2021.08.6.
Повний текст джерелаZhang, Min-Ye, and Hong Jiang. "Density-functional theory methods for electronic band structure properties of materials." SCIENTIA SINICA Chimica 50, no. 10 (September 29, 2020): 1344–62. http://dx.doi.org/10.1360/ssc-2020-0142.
Повний текст джерелаRocca, Dario, Ali Abboud, Ganapathy Vaitheeswaran, and Sébastien Lebègue. "Two-dimensional silicon and carbon monochalcogenides with the structure of phosphorene." Beilstein Journal of Nanotechnology 8 (June 29, 2017): 1338–44. http://dx.doi.org/10.3762/bjnano.8.135.
Повний текст джерелаMOLENDA, JANINA, and JACEK MARZEC. "FUNCTIONAL CATHODE MATERIALS FOR Li-ION BATTERIES — PART I: FUNDAMENTALS." Functional Materials Letters 01, no. 02 (September 2008): 91–95. http://dx.doi.org/10.1142/s1793604708000174.
Повний текст джерелаHosokawa, Shinya. "The Structure of Non‐Crystalline Materials and Chalcogenide Functional Materials." physica status solidi (b) 257, no. 11 (November 2020): 2000530. http://dx.doi.org/10.1002/pssb.202000530.
Повний текст джерелаNieminen, Risto M. "Developments in the density-functional theory of electronic structure." Current Opinion in Solid State and Materials Science 4, no. 6 (December 1999): 493–98. http://dx.doi.org/10.1016/s1359-0286(99)00050-9.
Повний текст джерелаYoun, Yungsik, Kwanwook Jung, Younjoo Lee, Soohyung Park, Hyunbok Lee, and Yeonjin Yi. "Electronic Structures of Nucleosides as Promising Functional Materials for Electronic Devices." Journal of Physical Chemistry C 121, no. 23 (June 6, 2017): 12750–56. http://dx.doi.org/10.1021/acs.jpcc.7b01746.
Повний текст джерелаДисертації з теми "Electronic Structure - Functional Materials"
Östlin, Andreas. "Electronic structure studies and method development for complex materials." Doctoral thesis, KTH, Tillämpad materialfysik, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-167109.
Повний текст джерелаQC 20150522
Wang, Baochang. "Electronic Structure and Optical Properties of Solar Energy Materials." Doctoral thesis, KTH, Flerskalig materialmodellering, 2014. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-145625.
Повний текст джерелаQC 20140603
Bhandari, Srijana. "AN ELECTRONIC STRUCTURE APPROACH TO UNDERSTAND CHARGE TRANSFERAND TRANSPORT IN ORGANIC SEMICONDUCTING MATERIALS." Kent State University / OhioLINK, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=kent1606836665551399.
Повний текст джерелаLu, Haichang. "Electronic structure, defect formation and passivation of 2D materials." Thesis, University of Cambridge, 2019. https://www.repository.cam.ac.uk/handle/1810/284926.
Повний текст джерелаZhang, Chunmei. "Computational discovery and design of novel materials from electronic structure engineering." Thesis, Queensland University of Technology, 2020. https://eprints.qut.edu.au/149858/1/Chunmei_Zhang_Thesis.pdf.
Повний текст джерелаRamzan, Muhammad. "Structural, Electronic and Mechanical Properties of Advanced Functional Materials." Doctoral thesis, Uppsala universitet, Materialteori, 2013. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-205243.
Повний текст джерелаHansson, Anders. "Electronic Structure and Transport Properties of Carbon Based Materials." Doctoral thesis, Linköpings universitet, Beräkningsfysik, 2006. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-7544.
Повний текст джерелаLi, Zhi. "Electronic Structure Characterization of Hybrid Materials." Scholar Commons, 2014. https://scholarcommons.usf.edu/etd/5060.
Повний текст джерелаDziekan, Thomas. "Electronic Transport in Strained Materials." Doctoral thesis, Uppsala University, Department of Physics and Materials Science, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-8471.
Повний текст джерелаIn this thesis the conductivity of strained materials has been investigated using density functional theory and a semiclassical transport theory based on the Boltzmann equation.
In transition metals trends are reproduced without adjustable parameters. The introduction of one temperature dependent cross section allowed the reproduction of resistivity trends between 10 and 1000K.
The effect of strain on transition metals in bcc and fcc structure was studied deforming the unit cell along the tetragonal deformation path. The anisotropy of the conductivity varied on wide range of the c/a-ratio. The orbitals at the Fermi level determined the principal behavior. Pairs of elements with permutated number of electrons and holes in the 4d band showed similar behavior. The concept of the tetragonal deformation was also applied on semiconductors.
The deformation of Vanadium in X/V superlattices (X=Cr,~Fe,~Mo) due to Hydrogen loading depends on the properties of X. It was found that counteracting effects due to the presence of Hydrogen influence the conductivity.
It is shown that a small magnetic moment of the V host reduces the hydrogen solubility. Depending on the magnitude of the tetragonal distortion of V, the hydrogen dissolution becomes favored for larger moments.
Finally, extra charge filling of the bandstructure of Cr and Mo decreases the Fermi velocity and increases the density of states at the Fermi energy.
Baum, Zachary John. "Reactivity of Tetraborylmethanes and Electronic Structure Calculations of Dimensionally Reduced Materials." The Ohio State University, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=osu1531736836448112.
Повний текст джерелаКниги з теми "Electronic Structure - Functional Materials"
Michael, Springborg, ed. Density-functional methods in chemistry and materials science. Chichester: Wiley, 1997.
Знайти повний текст джерелаKakeshita, Tomoyuki. Progress in Advanced Structural and Functional Materials Design. Tokyo: Springer Japan, 2013.
Знайти повний текст джерелаElectronic structure of materials. Oxford: Clarendon Press, 1993.
Знайти повний текст джерелаPlanes, Antoni, Lluís Mañosa, and Avadh Saxena, eds. Magnetism and Structure in Functional Materials. Berlin, Heidelberg: Springer Berlin Heidelberg, 2005. http://dx.doi.org/10.1007/3-540-31631-0.
Повний текст джерелаPlanes, Antoni. Magnetism and structure in functional materials. Berlin [u.a.]: Springer, 2010.
Знайти повний текст джерелаSen, K. D. Statistical complexity: Applications in electronic structure. Dordrecht: Springer, 2011.
Знайти повний текст джерела1934-, Grasso Vincenzo, ed. Electronic structure and electronic transitions in layered materials. Dordrecht, [Netherlands]: D. Reidel, 1986.
Знайти повний текст джерелаGrasso, Vincenzo, ed. Electronic Structure and Electronic Transitions in Layered Materials. Dordrecht: Springer Netherlands, 1986. http://dx.doi.org/10.1007/978-94-009-4542-5.
Повний текст джерелаAnisimov, Vladimir, and Yuri Izyumov. Electronic Structure of Strongly Correlated Materials. Berlin, Heidelberg: Springer Berlin Heidelberg, 2010. http://dx.doi.org/10.1007/978-3-642-04826-5.
Повний текст джерелаGoedecker, S. Low complexity algorithms for density functional electronic structure calculations. Ithaca, N.Y: Cornell Theory Center, Cornell University, 1993.
Знайти повний текст джерелаЧастини книг з теми "Electronic Structure - Functional Materials"
Nakatani, Naoki, Jia-Jia Zheng, and Shigeyoshi Sakaki. "Approach of Electronic Structure Calculations to Crystal." In The Materials Research Society Series, 209–55. Singapore: Springer Nature Singapore, 2023. http://dx.doi.org/10.1007/978-981-99-0260-6_11.
Повний текст джерелаSankir, Nurdan Demirci, Erkan Aydin, Esma Ugur, and Mehmet Sankir. "Spray Pyrolysis of Nano-Structured Optical and Electronic Materials." In Advanced Functional Materials, 127–81. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2015. http://dx.doi.org/10.1002/9781118998977.ch3.
Повний текст джерелаWang, Z. L., and Z. C. Kang. "Electron Crystallography for Structure Analysis." In Functional and Smart Materials, 261–339. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4615-5367-0_7.
Повний текст джерелаSTEIMER, C., H. DIEKER, D. WAMWANGI, W. WELNIC, R. DETEMPLE, and M. WUTTIG. "OPTICAL AND ELECTRONIC DATA STORAGE WITH PHASE CHANGE MATERIALS: FROM CRYSTAL STRUCTURES TO KINETICS." In Functional Properties of Nanostructured Materials, 449–54. Dordrecht: Springer Netherlands, 2006. http://dx.doi.org/10.1007/1-4020-4594-8_42.
Повний текст джерелаPottker, Walmir E., Patricia de la Presa, Mateus A. Gonçalves, Teodorico C. Ramalho, Antonio Hernando, and Felipe A. La Porta. "Nanocrystalline Spinel Manganese Ferrite MnFe2O4: Synthesis, Electronic Structure, and Evaluation of Their Magnetic Hyperthermia Applications." In Functional Properties of Advanced Engineering Materials and Biomolecules, 335–48. Cham: Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-62226-8_12.
Повний текст джерелаAndreoni, Wanda, and Paolo Giannozzi. "Structural and Electronic Properties of C60 and C60 Derivatives in the Solid Phases: Calculations Based on Density-Functional Theory." In Physics and Chemistry of Materials with Low-Dimensional Structures, 291–329. Dordrecht: Springer Netherlands, 2000. http://dx.doi.org/10.1007/978-94-011-4038-6_8.
Повний текст джерелаUddin, M. Jasim, David O. Olawale, Jin Yan, Justin Moore, and Okenwa O. I. Okoli. "Functional Triboluminescent Nanophase for Use in Advanced Structural Materials: A Smart Premise with Molecular and Electronic Definition." In Triboluminescence, 125–45. Cham: Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-38842-7_6.
Повний текст джерелаRoduner, Emil. "Electronic Structure." In Nanoscopic Materials, 41–80. Cambridge: Royal Society of Chemistry, 2007. http://dx.doi.org/10.1039/9781847557636-00041.
Повний текст джерелаWarnes, L. A. A. "The Structure of Solids." In Electronic Materials, 1–31. Boston, MA: Springer US, 1990. http://dx.doi.org/10.1007/978-1-4615-6893-3_1.
Повний текст джерелаWarnes, L. A. A. "The Structure of Solids." In Electronic Materials, 1–31. London: Macmillan Education UK, 1990. http://dx.doi.org/10.1007/978-1-349-21045-9_1.
Повний текст джерелаТези доповідей конференцій з теми "Electronic Structure - Functional Materials"
Patel, A. R. "Exploring Electronic Structure and Optical Properties of 2D Monolayer As2S3 by First-Principle’s Calculation." In Functional Materials and Applied Physics. Materials Research Forum LLC, 2022. http://dx.doi.org/10.21741/9781644901878-8.
Повний текст джерелаPatel, V. R. "Structural, Electronic and Optical Properties of 2D Monolayer and Bilayer CoO2." In Functional Materials and Applied Physics. Materials Research Forum LLC, 2022. http://dx.doi.org/10.21741/9781644901878-6.
Повний текст джерелаKumar, S. "Theoretical Investigation of Ballistic Electron Transport in Au and Ag Nanoribbons." In Functional Materials and Applied Physics. Materials Research Forum LLC, 2022. http://dx.doi.org/10.21741/9781644901878-5.
Повний текст джерелаHoisie, Adolfy, Stefan Goedecker, and Jurg Hutter. "Electronic structure of materials using self-interaction corrected density functional theory." In the 1996 ACM/IEEE conference. New York, New York, USA: ACM Press, 1996. http://dx.doi.org/10.1145/369028.369132.
Повний текст джерелаGAGLIARDI, LAURA, and CHRISTOPHER J. CRAMER. "MODELLING METAL–ORGANIC FRAMEWORKS AND OTHER FUNCTIONAL MATERIALS WITH ELECTRONIC STRUCTURE THEORIES." In 25th Solvay Conference on Chemistry. WORLD SCIENTIFIC, 2021. http://dx.doi.org/10.1142/9789811228216_0010.
Повний текст джерелаMishra, P. "Prediction of Electronic and Optical Properties of Boron Selenide BSe (2H) monolayer based on First-Principles." In Functional Materials and Applied Physics. Materials Research Forum LLC, 2022. http://dx.doi.org/10.21741/9781644901878-9.
Повний текст джерелаSingh, Birender, and Pradeep Kumar. "Density functional study of ACa2Fe4As4F2 (A = K, Rb): Electronic structure, unconventional superconductors." In NATIONAL CONFERENCE ON ADVANCED MATERIALS AND NANOTECHNOLOGY - 2018: AMN-2018. Author(s), 2018. http://dx.doi.org/10.1063/1.5052071.
Повний текст джерелаSatish, D. "Ionization Potentials of Nucleic Acid Intercalators." In Functional Materials and Applied Physics. Materials Research Forum LLC, 2022. http://dx.doi.org/10.21741/9781644901878-12.
Повний текст джерелаShukla, V. "The Performance Study of CIGS Solar Cell by SCAPS-1D Simulator." In Functional Materials and Applied Physics. Materials Research Forum LLC, 2022. http://dx.doi.org/10.21741/9781644901878-10.
Повний текст джерелаWu, Weigen. "Density Functional Theory Calculation on Electronic Structure and Optical Properties of Copper Doped SnO2." In 2015 International Conference on Materials, Environmental and Biological Engineering. Paris, France: Atlantis Press, 2015. http://dx.doi.org/10.2991/mebe-15.2015.123.
Повний текст джерелаЗвіти організацій з теми "Electronic Structure - Functional Materials"
Rez, Peter. Electronic Structure of Lithium Battery Materials. Office of Scientific and Technical Information (OSTI), December 2007. http://dx.doi.org/10.2172/920363.
Повний текст джерелаCar, Roberto. Electronic Structure Theory and Novel Materials. Office of Scientific and Technical Information (OSTI), April 2022. http://dx.doi.org/10.2172/1860622.
Повний текст джерелаRobertson, Ian M., and Duane D. Johnson. Reversible Hydrogen Storage Materials – Structure, Chemistry, and Electronic Structure. Office of Scientific and Technical Information (OSTI), June 2014. http://dx.doi.org/10.2172/1134549.
Повний текст джерелаJoyce, John J. Electronic Structure of Plutonium Materials from Photoemission. Office of Scientific and Technical Information (OSTI), February 2016. http://dx.doi.org/10.2172/1239080.
Повний текст джерелаIsaacs, Eric B. Electronic structure and phase stability of strongly correlated electron materials. Office of Scientific and Technical Information (OSTI), May 2016. http://dx.doi.org/10.2172/1477791.
Повний текст джерелаFreeman, Arthur J., Oleg Y. Kontsevoi, Yuri N. Gornostyrev, and Nadezhda I. Medvedeva. Fundamental Electronic Structure Characteristics and Mechanical Behavior of Aerospace Materials. Fort Belvoir, VA: Defense Technical Information Center, April 2008. http://dx.doi.org/10.21236/ada480633.
Повний текст джерелаNelson, A., J. Dunn, T. van Buuren, and R. Smith. Direct Characterization of the Electronic Structure of Shocked and Heated Materials. Office of Scientific and Technical Information (OSTI), February 2004. http://dx.doi.org/10.2172/15009787.
Повний текст джерелаWilliams, Timothy J., Ramesh Balakrishnan, Volker Blum, William P. Huhn, Chi Liu, David Mitzi, Yosuke Kanai, et al. Electronic Structure-Based Discovery of Hybrid Photovoltaic Materials on Next-Generation HPC Platforms. Office of Scientific and Technical Information (OSTI), September 2017. http://dx.doi.org/10.2172/1490826.
Повний текст джерелаMartins, Henrique, Giuseppina Conti, Lorenz Falling, Arunothai Rattanachata, Qiyang Lu, Laurent Nicolai, I. Cordova, et al. Correlating tomographic chemical inhomogeneity and low energy electronic structure in layered quantum materials. Office of Scientific and Technical Information (OSTI), March 2023. http://dx.doi.org/10.2172/1963495.
Повний текст джерелаZuo, Zhiqi. A theoretical study of the electronic structure of Invar Fe*3Pt and related materials. Office of Scientific and Technical Information (OSTI), January 1997. http://dx.doi.org/10.2172/453769.
Повний текст джерела